3EXD
Sulfur-SAD phased HEWL Crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.46 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.682, 78.682, 36.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.989 - 1.490 |
| R-factor | 0.1652 |
| Rwork | 0.163 |
| R-free | 0.18360 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.760 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.078 | 0.719 |
| Number of reflections | 25761 | |
| <I/σ(I)> | 31.1 | 2.7 |
| Completeness [%] | 98.8 | 92.3 |
| Redundancy | 24.5 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 100MM SODIUM CITRATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
